This is done. Jmol 11.7.6 will display all mol2 atom types as found in the
file and map correctly (so I claim!) atom types to element symbols for the
following force fields:
AMBER, GAFF, ESFF, CFF91, CHARMM, COMPASS, CVFF, CVFF_aug, PCFF
as described in
http://www.chem.cmu.edu/courses/09-560/docs/msi/ffbsim/B_AtomTypes.html
Any more you want, just let me know.
Bob
On Thu, Oct 30, 2008 at 8:17 AM, Angel Herraez <[EMAIL PROTECTED]> wrote:
> El 30 Oct 2008 a las 13:44, FyD escribió:
> > Why not simply taking the column of the FF atom types available in the
> > Tripos mol2 file format & display it "as it is" ?
>
> I think it's not a question of just "displaying" them, because they
> must be converted (mapped) to element names, or you'll get the pink
> color problem.
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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